[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate

C16H16F2N2O4 — CID 124884579

IUPAC[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C16H16F2N2O4/c1-22-11-3-2-4-12(11)23-16(21)10-7-5-9(6-8-10)14-19-15(13(17)18)24-20-14/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyHXUQIKVGZCEIAC-VXGBXAGGSA-N
MW338.31 g/mol
LogP3.40
Rot. Bonds5

About [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate

[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 124884579) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID124884579
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC Name[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate
SMILESCO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C16H16F2N2O4/c1-22-11-3-2-4-12(11)23-16(21)10-7-5-9(6-8-10)14-19-15(13(17)18)24-20-14/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1
InChIKeyHXUQIKVGZCEIAC-VXGBXAGGSA-N
XLogP3.40
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methyl-1,4-oxazepan-4-yl)methanone
CID 136542799
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
methyl 4-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841371
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
1-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]azetidine-3-carbonitrile
CID 154800869
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 167838886
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 119037365
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 124881869
1-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylbutan-2-one
CID 161460152
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate (CID 124884579) is [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate is CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(-c2noc(C(F)F)n2)cc1.
What is the InChIKey of [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is HXUQIKVGZCEIAC-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-22-11-3-2-4-12(11)23-16(21)10-7-5-9(6-8-10)14-19-15(13(17)18)24-20-14/h5-8,11-13H,2-4H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate?
[(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 338.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclopentyl] 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 124884579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).